5-(3,5-dimethoxyphenyl)-3-iodo-1,2,4-oxadiazole

C10H9IN2O3 — CID 112572230

IUPAC5-(3,5-dimethoxyphenyl)-3-iodo-1,2,4-oxadiazole
SMILESCOc1cc(OC)cc(-c2nc(I)no2)c1
InChIInChI=1S/C10H9IN2O3/c1-14-7-3-6(4-8(5-7)15-2)9-12-10(11)13-16-9/h3-5H,1-2H3
InChIKeyKBUFWLTVVWQRTQ-UHFFFAOYSA-N
MW332.10 g/mol
LogP2.36
Rot. Bonds3

About 5-(3,5-dimethoxyphenyl)-3-iodo-1,2,4-oxadiazole

5-(3,5-dimethoxyphenyl)-3-iodo-1,2,4-oxadiazole (PubChem CID 112572230) has the molecular formula C10H9IN2O3 and a molecular weight of 332.10 g/mol. Its IUPAC name is 5-(3,5-dimethoxyphenyl)-3-iodo-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,5-dimethoxyphenyl)-3-iodo-1,2,4-oxadiazole
PubChem CID112572230
Molecular FormulaC10H9IN2O3
Molecular Weight332.10 g/mol
Exact Mass331.97
IUPAC Name5-(3,5-dimethoxyphenyl)-3-iodo-1,2,4-oxadiazole
SMILESCOc1cc(OC)cc(-c2nc(I)no2)c1
InChIInChI=1S/C10H9IN2O3/c1-14-7-3-6(4-8(5-7)15-2)9-12-10(11)13-16-9/h3-5H,1-2H3
InChIKeyKBUFWLTVVWQRTQ-UHFFFAOYSA-N
XLogP2.36
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.10
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 61324669
3-iodo-5-(5-methylfuran-3-yl)-1,2,4-oxadiazole
CID 114822769
5-(3-chloro-5-methylphenyl)-3-iodo-1,2,4-oxadiazole
CID 112572269
1-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635206
5-(4-butoxyphenyl)-3-iodo-1,2,4-oxadiazole
CID 112572237
3-[(3-chlorophenoxy)methyl]-5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazole
CID 42692356
5-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole
CID 53141101
5-(3,5-dimethoxyphenyl)-3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-1,2,4-oxadiazole
CID 118624693
3-methoxy-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 10352930
5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706529
5-(3,5-dimethoxyphenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole
CID 53170093
5-(3,5-ditert-butylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 143910337

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethoxyphenyl)-3-iodo-1,2,4-oxadiazole?
The IUPAC name of 5-(3,5-dimethoxyphenyl)-3-iodo-1,2,4-oxadiazole (CID 112572230) is 5-(3,5-dimethoxyphenyl)-3-iodo-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,5-dimethoxyphenyl)-3-iodo-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,5-dimethoxyphenyl)-3-iodo-1,2,4-oxadiazole is COc1cc(OC)cc(-c2nc(I)no2)c1.
What is the InChIKey of 5-(3,5-dimethoxyphenyl)-3-iodo-1,2,4-oxadiazole?
The InChIKey is KBUFWLTVVWQRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2O3/c1-14-7-3-6(4-8(5-7)15-2)9-12-10(11)13-16-9/h3-5H,1-2H3.
What are the key properties of 5-(3,5-dimethoxyphenyl)-3-iodo-1,2,4-oxadiazole?
5-(3,5-dimethoxyphenyl)-3-iodo-1,2,4-oxadiazole has a molecular weight of 332.10 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethoxyphenyl)-3-iodo-1,2,4-oxadiazole is sourced from PubChem (CID 112572230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).